2-[butyl(methyl)amino]-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-4-carboxamide

C19H26N4O2 — CID 109308623

IUPAC2-[butyl(methyl)amino]-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-4-carboxamide
SMILESCCCCN(C)c1nccc(C(=O)NCCc2ccccc2OC)n1
InChIInChI=1S/C19H26N4O2/c1-4-5-14-23(2)19-21-13-11-16(22-19)18(24)20-12-10-15-8-6-7-9-17(15)25-3/h6-9,11,13H,4-5,10,12,14H2,1-3H3,(H,20,24)
InChIKeyCIHCIRGUBJIRHM-UHFFFAOYSA-N
MW342.44 g/mol
LogP2.69
Rot. Bonds9

About 2-[butyl(methyl)amino]-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-4-carboxamide

2-[butyl(methyl)amino]-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-4-carboxamide (PubChem CID 109308623) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is 2-[butyl(methyl)amino]-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-[butyl(methyl)amino]-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-4-carboxamide
PubChem CID109308623
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name2-[butyl(methyl)amino]-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-4-carboxamide
SMILESCCCCN(C)c1nccc(C(=O)NCCc2ccccc2OC)n1
InChIInChI=1S/C19H26N4O2/c1-4-5-14-23(2)19-21-13-11-16(22-19)18(24)20-12-10-15-8-6-7-9-17(15)25-3/h6-9,11,13H,4-5,10,12,14H2,1-3H3,(H,20,24)
InChIKeyCIHCIRGUBJIRHM-UHFFFAOYSA-N
XLogP2.69
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[butyl(methyl)amino]-N-[2-(2-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 109214268
2-[butyl(methyl)amino]-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109304081
N-[2-(2-methoxyphenyl)ethyl]-4-(pentylamino)pyridine-2-carboxamide
CID 109214267
N-butyl-4-[2-(2-methoxyphenyl)ethylamino]pyridine-2-carboxamide
CID 109202505
N-[2-(2-methoxyphenyl)ethyl]-2-(3-phenylpropylamino)pyrimidine-4-carboxamide
CID 109308618
N-[2-(2-methoxyphenyl)ethyl]-2-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109306886
2-(2-fluoroanilino)-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-4-carboxamide
CID 109308648
4-[benzyl(methyl)amino]-N-[2-(2-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 109211018
4-amino-N-[2-(2-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 106262005
N-[2-(4-fluorophenyl)ethyl]-2-[2-(2-methoxyphenyl)ethylamino]pyrimidine-4-carboxamide
CID 109308462
N-[2-(2-methoxyphenyl)ethyl]-6-methyl-2-(pentylamino)pyrimidine-4-carboxamide
CID 109330967
2-[(4-fluorophenyl)methylamino]-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-4-carboxamide
CID 109305508

Frequently Asked Questions

What is the IUPAC name of 2-[butyl(methyl)amino]-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-4-carboxamide?
The IUPAC name of 2-[butyl(methyl)amino]-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-4-carboxamide (CID 109308623) is 2-[butyl(methyl)amino]-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-4-carboxamide.
What is the SMILES notation for 2-[butyl(methyl)amino]-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-4-carboxamide?
The canonical SMILES for 2-[butyl(methyl)amino]-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-4-carboxamide is CCCCN(C)c1nccc(C(=O)NCCc2ccccc2OC)n1.
What is the InChIKey of 2-[butyl(methyl)amino]-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-4-carboxamide?
The InChIKey is CIHCIRGUBJIRHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-4-5-14-23(2)19-21-13-11-16(22-19)18(24)20-12-10-15-8-6-7-9-17(15)25-3/h6-9,11,13H,4-5,10,12,14H2,1-3H3,(H,20,24).
What are the key properties of 2-[butyl(methyl)amino]-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-4-carboxamide?
2-[butyl(methyl)amino]-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-4-carboxamide has a molecular weight of 342.44 g/mol, XLogP of 2.69, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butyl(methyl)amino]-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 109308623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).